SCHEMBL20480604

SCHEMBL20480604

C[C@H](CCC(=O)O)C1CCC2C3CC[C@@H]4C[C@H](NC(=O)[C@@H](N)CC(=O)O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ST6GAL1 P15907 1/20 0.71
▸ GRIN1 Q05586 2/20 0.67
▸ GRIN2B Q13224 2/20 0.67
▸ VDR P11473 4/20 0.66
▸ CASP7 P55210 3/20 0.66
▸ HSD17B10 Q99714 3/20 0.66
▸ GPBAR1 Q8TDU6 3/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ TP53 P04637 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ BLM P54132 2/20 0.66
▸ EPHA2 P29317 2/20 0.66
▸ AKR1B10 O60218 2/20 0.66
▸ AKR1B1 P15121 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ USP2 O75604 2/20 0.66
▸ MDM4 O15151 1/20 0.66
▸ CYP3A4 P08684 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ HSPD1 P10809 1/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20480609 1.00 ST6GAL1 (0.71) ST6GAL1GRIN1GRIN2BVDRCASP7
SCHEMBL20480607 1.00 ST6GAL1 (0.71) ST6GAL1GRIN1GRIN2BVDRCASP7
SCHEMBL18576208 1.00 ST6GAL1 (0.71) ST6GAL1GRIN1GRIN2BVDRCASP7
SCHEMBL18575958 0.92 VDR (0.69) ST6GAL1GRIN1GRIN2BVDRCASP7
SCHEMBL18575957 0.92 VDR (0.69) ST6GAL1GRIN1GRIN2BVDRCASP7
SCHEMBL22855507 0.89 ST6GAL1 (0.65) ST6GAL1VDRCASP7HSD17B10GPBAR1
SCHEMBL22855309 0.87 VDR (0.73) VDRCASP7HSD17B10GPBAR1TDP1
SCHEMBL22855506 0.87 EPHA2 (0.65) ST6GAL1VDRCASP7HSD17B10GPBAR1
SCHEMBL22855508 0.87 EPHA2 (0.65) ST6GAL1VDRCASP7HSD17B10GPBAR1
SCHEMBL22855456 0.85 VDR (0.70) VDRCASP7HSD17B10GPBAR1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 — — US disclosed
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ACADEMIA SINICA (TW) 2021-01-12 — — US disclosed
US-20180244713-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ACADEMIA SINICA (TW) 2018-08-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10889611-B2 Sialyltransferase inhibitors and uses thereof ST6GAL1, NEU1, GALNT1 ST6GAL1 1/4885GRIN1 4370/4885GRIN2B 4554/4885
US-20180244713-A1 SIALYLTRANSFERASE INHIBITORS AND USES THEREOF ST6GAL1, NEU1, GALNT1 ST6GAL1 1/4885GRIN1 4370/4885GRIN2B 4554/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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